⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3400869 | 0.84 | — | — | |
| SCHEMBL614058 | 0.84 | — | — | |
| SCHEMBL3813044 | 0.83 | P2RX7 (0.31) | — | |
| SCHEMBL3808910 | 0.83 | CTSK (0.30) | — | |
| SCHEMBL6880645 | 0.83 | — | — | |
| SCHEMBL14877154 | 0.81 | CTSK (0.32) | — | |
| SCHEMBL4757216 | 0.81 | — | — | |
| SCHEMBL3819375 | 0.81 | — | — | |
| SCHEMBL6024135 | 0.80 | — | — | |
| SCHEMBL1727795 | 0.80 | ACHE (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250148-A2 | CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE | XenoPort, Inc. (US) | 2010-11-17 | — | — | EP | disclosed |
| EP-2250143-A2 | METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES | XenoPort, Inc. (US) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009094569-A2 | METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094577-A2 | MESOPHASIC FORMS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUGS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094563-A2 | CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-B-METHYL-HEXANOIC ACIDS AND METHODS OF USE | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |